SCHEMBL28291418

SCHEMBL28291418

CC(C)(C)NC(=O)OCC(=O)NC1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
EPHX1 P07099 3/20 0.43
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 3/20 0.40
SSTR1 P30872 1/20 0.38
SSTR4 P31391 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
ATM Q13315 3/20 0.37
MAPT P10636 2/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GALR3 O60755 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7656762 0.80 EPHX1 (0.50) GNAI3GNAO1GNAI1EPHX1NPSR1
SCHEMBL28291327 0.76 EPHX1 (0.50) GNAI3GNAO1GNAI1EPHX1NPSR1
SCHEMBL15447812 0.76 NPSR1 (0.68) GNAI3GNAO1GNAI1EPHX1NPSR1
Hydrochloric Acid SCHEMBL2967152 0.76 GNAI3 (0.47) GNAI3GNAO1GNAI1EPHX1NPSR1
SCHEMBL1428636 0.75 CHRM3 (0.46) CHRM3
SCHEMBL28857546 0.75 NPSR1 (0.34) NPSR1POLBKMT2AMEN1ATM
SCHEMBL4070701 0.74 EPHX1 (0.55) GNAI3GNAO1GNAI1EPHX1NPSR1
SCHEMBL27791277 0.74 ITGB3 (0.41) GNAI3GNAO1GNAI1EPHX1KMT2A
SCHEMBL21882064 0.73 EPHX1 (0.53) GNAI3GNAO1GNAI1EPHX1NPSR1
SCHEMBL8230248 0.73 EPHX1 (0.53) GNAI3GNAO1GNAI1EPHX1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563043-A SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 葛兰素史密斯克莱知识产权发展有限公司 2019-04-02 CN disclosed